USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 293 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 294 GLN : amide:sc=-0.00693 X(o=-0.0069,f=-0.22) USER MOD Single : A 306 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.24) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -41:sc= 0.373 USER MOD Single : A 323 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.28) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -2.55 K(o=-2.6,f=-5.6!) USER MOD Single : A 336 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00407) USER MOD Single : A 337 HIS : no HD1:sc= -0.0953 X(o=-0.095,f=0) USER MOD Single : A 339 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.536 2.058 -0.484 1.00 0.00 N ATOM 134 CA PRO A 287 9.718 0.875 -0.117 1.00 0.00 C ATOM 135 C PRO A 287 9.997 -0.290 -1.072 1.00 0.00 C ATOM 136 O PRO A 287 9.812 -0.183 -2.268 1.00 0.00 O ATOM 137 CB PRO A 287 8.284 1.372 -0.273 1.00 0.00 C ATOM 138 CG PRO A 287 8.367 2.499 -1.252 1.00 0.00 C ATOM 139 CD PRO A 287 9.731 3.120 -1.097 1.00 0.00 C ATOM 0 HA PRO A 287 9.931 0.502 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.630 0.580 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 287 7.877 1.708 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.222 2.137 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.585 3.234 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.141 3.427 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.696 4.009 -0.467 1.00 0.00 H new ATOM 147 N GLU A 288 10.431 -1.406 -0.550 1.00 0.00 N ATOM 148 CA GLU A 288 10.712 -2.579 -1.427 1.00 0.00 C ATOM 149 C GLU A 288 9.397 -3.240 -1.848 1.00 0.00 C ATOM 150 O GLU A 288 9.236 -3.669 -2.973 1.00 0.00 O ATOM 151 CB GLU A 288 11.539 -3.532 -0.561 1.00 0.00 C ATOM 152 CG GLU A 288 12.442 -4.385 -1.453 1.00 0.00 C ATOM 153 CD GLU A 288 13.301 -5.304 -0.582 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.190 -5.213 0.630 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.056 -6.082 -1.142 1.00 0.00 O ATOM 0 H GLU A 288 10.603 -1.556 0.444 1.00 0.00 H new ATOM 0 HA GLU A 288 11.239 -2.301 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.142 -2.964 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.879 -4.173 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.837 -4.978 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.079 -3.744 -2.062 1.00 0.00 H new ATOM 162 N ARG A 289 8.456 -3.321 -0.948 1.00 0.00 N ATOM 163 CA ARG A 289 7.146 -3.948 -1.286 1.00 0.00 C ATOM 164 C ARG A 289 6.221 -3.900 -0.065 1.00 0.00 C ATOM 165 O ARG A 289 6.611 -3.459 0.998 1.00 0.00 O ATOM 166 CB ARG A 289 7.479 -5.395 -1.653 1.00 0.00 C ATOM 167 CG ARG A 289 8.426 -5.983 -0.604 1.00 0.00 C ATOM 168 CD ARG A 289 8.726 -7.444 -0.949 1.00 0.00 C ATOM 169 NE ARG A 289 7.740 -8.234 -0.162 1.00 0.00 N ATOM 170 CZ ARG A 289 7.552 -9.496 -0.434 1.00 0.00 C ATOM 171 NH1 ARG A 289 8.567 -10.314 -0.476 1.00 0.00 N ATOM 172 NH2 ARG A 289 6.346 -9.941 -0.661 1.00 0.00 N ATOM 0 H ARG A 289 8.538 -2.979 0.010 1.00 0.00 H new ATOM 0 HA ARG A 289 6.634 -3.435 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.565 -5.987 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.942 -5.434 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 289 9.352 -5.408 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.975 -5.917 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.617 -7.628 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.749 -7.711 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 289 7.212 -7.789 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 289 9.509 -9.967 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 289 8.419 -11.300 -0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 289 5.552 -9.302 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 289 6.198 -10.928 -0.874 1.00 0.00 H new ATOM 186 N ILE A 290 5.002 -4.345 -0.202 1.00 0.00 N ATOM 187 CA ILE A 290 4.071 -4.313 0.963 1.00 0.00 C ATOM 188 C ILE A 290 4.011 -5.683 1.642 1.00 0.00 C ATOM 189 O ILE A 290 4.225 -6.707 1.024 1.00 0.00 O ATOM 190 CB ILE A 290 2.697 -3.970 0.388 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.823 -2.890 -0.689 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.795 -3.457 1.512 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.235 -1.572 -0.044 1.00 0.00 C ATOM 0 H ILE A 290 4.612 -4.727 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 290 4.399 -3.589 1.709 1.00 0.00 H new ATOM 0 HB ILE A 290 2.267 -4.866 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.561 -3.189 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.874 -2.770 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.813 -3.211 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.690 -4.228 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.238 -2.566 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.324 -0.803 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.481 -1.272 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.194 -1.697 0.458 1.00 0.00 H new ATOM 205 N ILE A 291 3.695 -5.707 2.907 1.00 0.00 N ATOM 206 CA ILE A 291 3.585 -7.006 3.635 1.00 0.00 C ATOM 207 C ILE A 291 2.180 -7.137 4.209 1.00 0.00 C ATOM 208 O ILE A 291 1.586 -8.196 4.203 1.00 0.00 O ATOM 209 CB ILE A 291 4.614 -6.968 4.773 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.948 -5.519 5.160 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.884 -7.689 4.327 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.922 -4.918 4.142 1.00 0.00 C ATOM 0 H ILE A 291 3.507 -4.879 3.472 1.00 0.00 H new ATOM 0 HA ILE A 291 3.772 -7.853 2.975 1.00 0.00 H new ATOM 0 HB ILE A 291 4.191 -7.466 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.035 -4.924 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.388 -5.492 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.618 -7.665 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.648 -8.725 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.294 -7.193 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.154 -3.891 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.840 -5.506 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.466 -4.929 3.152 1.00 0.00 H new ATOM 224 N ASP A 292 1.646 -6.056 4.697 1.00 0.00 N ATOM 225 CA ASP A 292 0.275 -6.093 5.269 1.00 0.00 C ATOM 226 C ASP A 292 -0.372 -4.711 5.147 1.00 0.00 C ATOM 227 O ASP A 292 0.276 -3.745 4.794 1.00 0.00 O ATOM 228 CB ASP A 292 0.462 -6.474 6.737 1.00 0.00 C ATOM 229 CG ASP A 292 -0.902 -6.776 7.364 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.877 -6.797 6.632 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.946 -6.980 8.566 1.00 0.00 O ATOM 0 H ASP A 292 2.102 -5.144 4.724 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.374 -6.800 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.112 -7.345 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.950 -5.661 7.275 1.00 0.00 H new ATOM 236 N SER A 293 -1.640 -4.603 5.433 1.00 0.00 N ATOM 237 CA SER A 293 -2.312 -3.275 5.327 1.00 0.00 C ATOM 238 C SER A 293 -3.062 -2.950 6.621 1.00 0.00 C ATOM 239 O SER A 293 -3.337 -3.818 7.426 1.00 0.00 O ATOM 240 CB SER A 293 -3.288 -3.419 4.160 1.00 0.00 C ATOM 241 OG SER A 293 -3.684 -4.779 4.047 1.00 0.00 O ATOM 0 H SER A 293 -2.238 -5.372 5.734 1.00 0.00 H new ATOM 0 HA SER A 293 -1.600 -2.465 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.161 -2.786 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.818 -3.086 3.234 1.00 0.00 H new ATOM 0 HG SER A 293 -4.311 -4.876 3.300 1.00 0.00 H new ATOM 247 N GLN A 294 -3.393 -1.704 6.827 1.00 0.00 N ATOM 248 CA GLN A 294 -4.121 -1.322 8.070 1.00 0.00 C ATOM 249 C GLN A 294 -5.110 -0.187 7.784 1.00 0.00 C ATOM 250 O GLN A 294 -4.760 0.975 7.813 1.00 0.00 O ATOM 251 CB GLN A 294 -3.031 -0.850 9.033 1.00 0.00 C ATOM 252 CG GLN A 294 -3.496 -1.062 10.474 1.00 0.00 C ATOM 253 CD GLN A 294 -3.235 -2.511 10.886 1.00 0.00 C ATOM 254 OE1 GLN A 294 -4.073 -3.369 10.694 1.00 0.00 O ATOM 255 NE2 GLN A 294 -2.099 -2.821 11.447 1.00 0.00 N ATOM 0 H GLN A 294 -3.191 -0.935 6.188 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.701 -2.150 8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.108 -1.401 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.811 0.204 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -2.967 -0.382 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.558 -0.833 10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.396 -2.100 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -1.914 -3.785 11.725 1.00 0.00 H new ATOM 404 N LEU A 305 -6.158 4.986 6.112 1.00 0.00 N ATOM 405 CA LEU A 305 -5.615 3.752 5.475 1.00 0.00 C ATOM 406 C LEU A 305 -4.084 3.748 5.541 1.00 0.00 C ATOM 407 O LEU A 305 -3.443 4.754 5.306 1.00 0.00 O ATOM 408 CB LEU A 305 -6.093 3.818 4.025 1.00 0.00 C ATOM 409 CG LEU A 305 -5.439 2.695 3.222 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.768 1.348 3.865 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.971 2.716 1.787 1.00 0.00 C ATOM 0 HA LEU A 305 -5.952 2.844 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.178 3.725 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.840 4.785 3.591 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.359 2.839 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.301 0.547 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.390 1.331 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.848 1.204 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.504 1.915 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -7.052 2.573 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.737 3.676 1.326 1.00 0.00 H new ATOM 423 N GLN A 306 -3.493 2.627 5.859 1.00 0.00 N ATOM 424 CA GLN A 306 -2.004 2.567 5.940 1.00 0.00 C ATOM 425 C GLN A 306 -1.488 1.211 5.448 1.00 0.00 C ATOM 426 O GLN A 306 -2.009 0.171 5.800 1.00 0.00 O ATOM 427 CB GLN A 306 -1.682 2.753 7.423 1.00 0.00 C ATOM 428 CG GLN A 306 -2.217 4.106 7.898 1.00 0.00 C ATOM 429 CD GLN A 306 -1.270 4.688 8.948 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.091 4.842 8.700 1.00 0.00 O ATOM 431 NE2 GLN A 306 -1.740 5.020 10.119 1.00 0.00 N ATOM 0 H GLN A 306 -3.975 1.752 6.066 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.532 3.326 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.129 1.948 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.605 2.701 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.307 4.790 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.215 3.987 8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -2.730 4.890 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -1.117 5.409 10.827 1.00 0.00 H new ATOM 440 N TYR A 307 -0.463 1.217 4.637 1.00 0.00 N ATOM 441 CA TYR A 307 0.099 -0.067 4.120 1.00 0.00 C ATOM 442 C TYR A 307 1.470 -0.341 4.749 1.00 0.00 C ATOM 443 O TYR A 307 2.345 0.501 4.740 1.00 0.00 O ATOM 444 CB TYR A 307 0.256 0.150 2.614 1.00 0.00 C ATOM 445 CG TYR A 307 -0.967 -0.346 1.878 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.160 -0.600 2.568 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.902 -0.557 0.494 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.283 -1.064 1.873 1.00 0.00 C ATOM 449 CE2 TYR A 307 -2.026 -1.021 -0.199 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.216 -1.275 0.491 1.00 0.00 C ATOM 451 OH TYR A 307 -4.325 -1.732 -0.193 1.00 0.00 O ATOM 0 H TYR A 307 0.011 2.058 4.309 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.542 -0.917 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.408 1.209 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.141 -0.375 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.213 -0.438 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.017 -0.361 -0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.203 -1.260 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.975 -1.183 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.486 -1.162 -0.974 1.00 0.00 H new ATOM 461 N LEU A 308 1.671 -1.517 5.278 1.00 0.00 N ATOM 462 CA LEU A 308 2.996 -1.840 5.885 1.00 0.00 C ATOM 463 C LEU A 308 4.013 -2.093 4.771 1.00 0.00 C ATOM 464 O LEU A 308 3.804 -2.925 3.910 1.00 0.00 O ATOM 465 CB LEU A 308 2.763 -3.111 6.704 1.00 0.00 C ATOM 466 CG LEU A 308 4.031 -3.452 7.490 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.136 -2.539 8.714 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.967 -4.910 7.950 1.00 0.00 C ATOM 0 H LEU A 308 0.979 -2.266 5.317 1.00 0.00 H new ATOM 0 HA LEU A 308 3.384 -1.033 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.926 -2.967 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.498 -3.938 6.045 1.00 0.00 H new ATOM 0 HG LEU A 308 4.903 -3.307 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.039 -2.783 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.179 -1.499 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.264 -2.684 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.869 -5.155 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.094 -5.052 8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.891 -5.563 7.080 1.00 0.00 H new ATOM 480 N VAL A 309 5.104 -1.379 4.765 1.00 0.00 N ATOM 481 CA VAL A 309 6.111 -1.585 3.686 1.00 0.00 C ATOM 482 C VAL A 309 7.459 -2.021 4.265 1.00 0.00 C ATOM 483 O VAL A 309 7.764 -1.778 5.416 1.00 0.00 O ATOM 484 CB VAL A 309 6.246 -0.223 3.006 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.006 -0.388 1.691 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.856 0.350 2.722 1.00 0.00 C ATOM 0 H VAL A 309 5.341 -0.666 5.455 1.00 0.00 H new ATOM 0 HA VAL A 309 5.802 -2.369 2.994 1.00 0.00 H new ATOM 0 HB VAL A 309 6.790 0.457 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.104 0.582 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.997 -0.795 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.460 -1.069 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.955 1.321 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.310 -0.329 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.312 0.466 3.659 1.00 0.00 H new ATOM 496 N LYS A 310 8.272 -2.656 3.464 1.00 0.00 N ATOM 497 CA LYS A 310 9.610 -3.102 3.946 1.00 0.00 C ATOM 498 C LYS A 310 10.702 -2.243 3.301 1.00 0.00 C ATOM 499 O LYS A 310 11.152 -2.513 2.205 1.00 0.00 O ATOM 500 CB LYS A 310 9.729 -4.558 3.494 1.00 0.00 C ATOM 501 CG LYS A 310 10.834 -5.254 4.292 1.00 0.00 C ATOM 502 CD LYS A 310 11.692 -6.095 3.347 1.00 0.00 C ATOM 503 CE LYS A 310 11.737 -7.542 3.844 1.00 0.00 C ATOM 504 NZ LYS A 310 11.838 -8.368 2.609 1.00 0.00 N ATOM 0 H LYS A 310 8.065 -2.886 2.492 1.00 0.00 H new ATOM 0 HA LYS A 310 9.721 -3.006 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.780 -5.074 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.954 -4.601 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.452 -4.514 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 310 10.396 -5.887 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.281 -6.059 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 310 12.701 -5.686 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 310 12.591 -7.708 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.842 -7.792 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.874 -9.375 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 11.009 -8.194 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 12.702 -8.113 2.090 1.00 0.00 H new ATOM 681 N THR A 320 7.992 -0.774 8.393 1.00 0.00 N ATOM 682 CA THR A 320 7.089 -0.009 9.300 1.00 0.00 C ATOM 683 C THR A 320 5.721 0.190 8.645 1.00 0.00 C ATOM 684 O THR A 320 5.357 -0.509 7.721 1.00 0.00 O ATOM 685 CB THR A 320 7.780 1.337 9.514 1.00 0.00 C ATOM 686 OG1 THR A 320 8.112 1.903 8.254 1.00 0.00 O ATOM 687 CG2 THR A 320 9.053 1.132 10.335 1.00 0.00 C ATOM 0 HA THR A 320 6.917 -0.532 10.241 1.00 0.00 H new ATOM 0 HB THR A 320 7.110 2.010 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.453 1.202 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.546 2.092 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.797 0.698 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.725 0.460 9.802 1.00 0.00 H new ATOM 695 N TRP A 321 4.958 1.135 9.122 1.00 0.00 N ATOM 696 CA TRP A 321 3.612 1.371 8.529 1.00 0.00 C ATOM 697 C TRP A 321 3.546 2.746 7.863 1.00 0.00 C ATOM 698 O TRP A 321 4.083 3.718 8.358 1.00 0.00 O ATOM 699 CB TRP A 321 2.643 1.310 9.709 1.00 0.00 C ATOM 700 CG TRP A 321 2.178 -0.096 9.901 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.528 -0.892 10.936 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.289 -0.884 9.056 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.905 -2.118 10.786 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.131 -2.163 9.642 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.610 -0.618 7.852 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.327 -3.141 9.055 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.199 -1.602 7.261 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.340 -2.860 7.861 1.00 0.00 C ATOM 0 H TRP A 321 5.208 1.752 9.895 1.00 0.00 H new ATOM 0 HA TRP A 321 3.375 0.637 7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.133 1.669 10.614 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.790 1.964 9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.186 -0.616 11.747 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.005 -2.894 11.440 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.712 0.348 7.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.221 -4.109 9.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.716 -1.387 6.337 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.964 -3.612 7.401 1.00 0.00 H new ATOM 719 N GLU A 322 2.880 2.831 6.748 1.00 0.00 N ATOM 720 CA GLU A 322 2.755 4.135 6.039 1.00 0.00 C ATOM 721 C GLU A 322 1.363 4.244 5.418 1.00 0.00 C ATOM 722 O GLU A 322 0.614 3.289 5.392 1.00 0.00 O ATOM 723 CB GLU A 322 3.827 4.103 4.948 1.00 0.00 C ATOM 724 CG GLU A 322 5.133 4.684 5.496 1.00 0.00 C ATOM 725 CD GLU A 322 4.879 6.098 6.023 1.00 0.00 C ATOM 726 OE1 GLU A 322 4.906 7.020 5.226 1.00 0.00 O ATOM 727 OE2 GLU A 322 4.661 6.233 7.216 1.00 0.00 O ATOM 0 H GLU A 322 2.412 2.047 6.293 1.00 0.00 H new ATOM 0 HA GLU A 322 2.886 4.988 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 322 3.986 3.079 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.497 4.677 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.519 4.050 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.891 4.707 4.713 1.00 0.00 H new ATOM 734 N ASN A 323 1.006 5.389 4.909 1.00 0.00 N ATOM 735 CA ASN A 323 -0.338 5.526 4.288 1.00 0.00 C ATOM 736 C ASN A 323 -0.374 4.739 2.978 1.00 0.00 C ATOM 737 O ASN A 323 0.551 4.790 2.191 1.00 0.00 O ATOM 738 CB ASN A 323 -0.503 7.023 4.027 1.00 0.00 C ATOM 739 CG ASN A 323 -0.124 7.807 5.286 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.466 7.417 6.385 1.00 0.00 O ATOM 741 ND2 ASN A 323 0.575 8.904 5.171 1.00 0.00 N ATOM 0 H ASN A 323 1.583 6.230 4.896 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.138 5.140 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.127 7.329 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.533 7.242 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 323 0.834 9.433 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 323 0.862 9.231 4.249 1.00 0.00 H new ATOM 748 N ALA A 324 -1.431 4.019 2.727 1.00 0.00 N ATOM 749 CA ALA A 324 -1.505 3.246 1.456 1.00 0.00 C ATOM 750 C ALA A 324 -1.476 4.225 0.292 1.00 0.00 C ATOM 751 O ALA A 324 -1.161 3.879 -0.826 1.00 0.00 O ATOM 752 CB ALA A 324 -2.841 2.504 1.506 1.00 0.00 C ATOM 0 H ALA A 324 -2.241 3.932 3.341 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.676 2.549 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.963 1.912 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.859 1.845 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.655 3.225 1.581 1.00 0.00 H new ATOM 758 N THR A 325 -1.796 5.455 0.563 1.00 0.00 N ATOM 759 CA THR A 325 -1.784 6.488 -0.505 1.00 0.00 C ATOM 760 C THR A 325 -0.339 6.886 -0.811 1.00 0.00 C ATOM 761 O THR A 325 0.070 6.951 -1.953 1.00 0.00 O ATOM 762 CB THR A 325 -2.578 7.653 0.094 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.953 7.496 -0.222 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.077 8.985 -0.462 1.00 0.00 C ATOM 0 H THR A 325 -2.068 5.793 1.486 1.00 0.00 H new ATOM 0 HA THR A 325 -2.217 6.151 -1.447 1.00 0.00 H new ATOM 0 HB THR A 325 -2.443 7.652 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.464 8.239 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.653 9.801 -0.025 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.023 9.110 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.197 8.995 -1.545 1.00 0.00 H new ATOM 772 N ASP A 326 0.437 7.140 0.203 1.00 0.00 N ATOM 773 CA ASP A 326 1.856 7.520 -0.030 1.00 0.00 C ATOM 774 C ASP A 326 2.576 6.367 -0.721 1.00 0.00 C ATOM 775 O ASP A 326 3.217 6.542 -1.737 1.00 0.00 O ATOM 776 CB ASP A 326 2.446 7.766 1.358 1.00 0.00 C ATOM 777 CG ASP A 326 2.398 9.262 1.677 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.326 9.744 2.005 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.433 9.900 1.586 1.00 0.00 O ATOM 0 H ASP A 326 0.151 7.101 1.181 1.00 0.00 H new ATOM 0 HA ASP A 326 1.955 8.401 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.886 7.206 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.475 7.408 1.396 1.00 0.00 H new ATOM 784 N ILE A 327 2.467 5.184 -0.184 1.00 0.00 N ATOM 785 CA ILE A 327 3.138 4.021 -0.822 1.00 0.00 C ATOM 786 C ILE A 327 2.595 3.830 -2.239 1.00 0.00 C ATOM 787 O ILE A 327 3.291 3.383 -3.125 1.00 0.00 O ATOM 788 CB ILE A 327 2.803 2.825 0.070 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.549 2.969 1.396 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.238 1.528 -0.615 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.035 3.200 1.112 1.00 0.00 C ATOM 0 H ILE A 327 1.944 4.974 0.666 1.00 0.00 H new ATOM 0 HA ILE A 327 4.216 4.152 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 327 1.728 2.794 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.142 3.803 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.417 2.072 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 327 2.997 0.680 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.715 1.425 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.313 1.554 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.574 3.304 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.435 2.352 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.156 4.109 0.523 1.00 0.00 H new ATOM 803 N VAL A 328 1.361 4.190 -2.472 1.00 0.00 N ATOM 804 CA VAL A 328 0.808 4.053 -3.848 1.00 0.00 C ATOM 805 C VAL A 328 1.615 4.963 -4.774 1.00 0.00 C ATOM 806 O VAL A 328 2.047 4.571 -5.837 1.00 0.00 O ATOM 807 CB VAL A 328 -0.649 4.517 -3.743 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.141 5.031 -5.100 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.516 3.339 -3.306 1.00 0.00 C ATOM 0 H VAL A 328 0.719 4.569 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 328 0.861 3.039 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.716 5.324 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.177 5.357 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.522 5.870 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.074 4.231 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.555 3.661 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.438 2.538 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.175 2.977 -2.336 1.00 0.00 H new ATOM 819 N LYS A 329 1.834 6.172 -4.348 1.00 0.00 N ATOM 820 CA LYS A 329 2.634 7.127 -5.166 1.00 0.00 C ATOM 821 C LYS A 329 4.122 6.799 -5.017 1.00 0.00 C ATOM 822 O LYS A 329 4.852 6.719 -5.985 1.00 0.00 O ATOM 823 CB LYS A 329 2.327 8.506 -4.582 1.00 0.00 C ATOM 824 CG LYS A 329 1.401 9.270 -5.530 1.00 0.00 C ATOM 825 CD LYS A 329 0.766 10.447 -4.784 1.00 0.00 C ATOM 826 CE LYS A 329 1.821 11.525 -4.534 1.00 0.00 C ATOM 827 NZ LYS A 329 1.188 12.796 -4.987 1.00 0.00 N ATOM 0 H LYS A 329 1.492 6.545 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 329 2.392 7.078 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 329 1.857 8.402 -3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.252 9.063 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.963 9.632 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.625 8.606 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.058 10.858 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.347 10.107 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.094 11.574 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.735 11.319 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 1.852 13.584 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 0.946 12.723 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.324 12.969 -4.435 1.00 0.00 H new ATOM 841 N LEU A 330 4.571 6.593 -3.807 1.00 0.00 N ATOM 842 CA LEU A 330 6.003 6.253 -3.587 1.00 0.00 C ATOM 843 C LEU A 330 6.310 4.914 -4.256 1.00 0.00 C ATOM 844 O LEU A 330 7.249 4.780 -5.016 1.00 0.00 O ATOM 845 CB LEU A 330 6.138 6.130 -2.070 1.00 0.00 C ATOM 846 CG LEU A 330 7.437 6.795 -1.612 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.217 8.304 -1.477 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.851 6.219 -0.256 1.00 0.00 C ATOM 0 H LEU A 330 4.004 6.646 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 330 6.687 6.994 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.285 6.600 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.134 5.080 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 330 8.221 6.606 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.142 8.779 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.918 8.716 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.434 8.493 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.777 6.691 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.066 6.411 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.005 5.144 -0.349 1.00 0.00 H new ATOM 860 N ALA A 331 5.506 3.928 -3.979 1.00 0.00 N ATOM 861 CA ALA A 331 5.709 2.587 -4.588 1.00 0.00 C ATOM 862 C ALA A 331 4.362 2.041 -5.075 1.00 0.00 C ATOM 863 O ALA A 331 3.736 1.247 -4.401 1.00 0.00 O ATOM 864 CB ALA A 331 6.268 1.718 -3.461 1.00 0.00 C ATOM 0 H ALA A 331 4.707 3.996 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 331 6.381 2.610 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.445 0.709 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.206 2.143 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.552 1.682 -2.640 1.00 0.00 H new ATOM 870 N PRO A 332 3.958 2.499 -6.230 1.00 0.00 N ATOM 871 CA PRO A 332 2.664 2.065 -6.817 1.00 0.00 C ATOM 872 C PRO A 332 2.738 0.596 -7.241 1.00 0.00 C ATOM 873 O PRO A 332 1.954 -0.225 -6.808 1.00 0.00 O ATOM 874 CB PRO A 332 2.497 2.976 -8.032 1.00 0.00 C ATOM 875 CG PRO A 332 3.885 3.399 -8.388 1.00 0.00 C ATOM 876 CD PRO A 332 4.664 3.448 -7.099 1.00 0.00 C ATOM 0 HA PRO A 332 1.830 2.138 -6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.020 2.449 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.870 3.836 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.337 2.696 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.880 4.374 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.704 3.157 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.672 4.451 -6.673 1.00 0.00 H new ATOM 884 N GLU A 333 3.677 0.259 -8.082 1.00 0.00 N ATOM 885 CA GLU A 333 3.800 -1.158 -8.525 1.00 0.00 C ATOM 886 C GLU A 333 3.743 -2.084 -7.309 1.00 0.00 C ATOM 887 O GLU A 333 3.274 -3.201 -7.387 1.00 0.00 O ATOM 888 CB GLU A 333 5.166 -1.246 -9.207 1.00 0.00 C ATOM 889 CG GLU A 333 5.377 -2.661 -9.746 1.00 0.00 C ATOM 890 CD GLU A 333 4.813 -2.757 -11.165 1.00 0.00 C ATOM 891 OE1 GLU A 333 3.938 -1.970 -11.488 1.00 0.00 O ATOM 892 OE2 GLU A 333 5.264 -3.616 -11.904 1.00 0.00 O ATOM 0 H GLU A 333 4.362 0.901 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 333 2.996 -1.458 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.225 -0.523 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.955 -0.994 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.439 -2.906 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.884 -3.386 -9.098 1.00 0.00 H new ATOM 899 N GLN A 334 4.213 -1.620 -6.183 1.00 0.00 N ATOM 900 CA GLN A 334 4.182 -2.466 -4.959 1.00 0.00 C ATOM 901 C GLN A 334 2.767 -2.487 -4.381 1.00 0.00 C ATOM 902 O GLN A 334 2.204 -3.532 -4.132 1.00 0.00 O ATOM 903 CB GLN A 334 5.151 -1.794 -3.987 1.00 0.00 C ATOM 904 CG GLN A 334 6.496 -1.566 -4.678 1.00 0.00 C ATOM 905 CD GLN A 334 7.246 -2.895 -4.790 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.736 -3.927 -4.404 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.445 -2.911 -5.306 1.00 0.00 N ATOM 0 H GLN A 334 4.617 -0.692 -6.059 1.00 0.00 H new ATOM 0 HA GLN A 334 4.463 -3.500 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.740 -0.844 -3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.286 -2.417 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.340 -1.140 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 334 7.090 -0.848 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 334 8.872 -2.043 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.954 -3.791 -5.385 1.00 0.00 H new ATOM 916 N VAL A 335 2.184 -1.338 -4.169 1.00 0.00 N ATOM 917 CA VAL A 335 0.803 -1.301 -3.614 1.00 0.00 C ATOM 918 C VAL A 335 -0.141 -2.057 -4.556 1.00 0.00 C ATOM 919 O VAL A 335 -1.031 -2.759 -4.120 1.00 0.00 O ATOM 920 CB VAL A 335 0.462 0.194 -3.508 1.00 0.00 C ATOM 921 CG1 VAL A 335 -1.044 0.428 -3.669 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.898 0.698 -2.131 1.00 0.00 C ATOM 0 H VAL A 335 2.603 -0.427 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 335 0.708 -1.783 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 335 0.982 0.730 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.257 1.494 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.366 0.065 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.581 -0.109 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.663 1.758 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.371 0.142 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 335 1.972 0.554 -2.014 1.00 0.00 H new ATOM 932 N LYS A 336 0.060 -1.946 -5.841 1.00 0.00 N ATOM 933 CA LYS A 336 -0.815 -2.694 -6.788 1.00 0.00 C ATOM 934 C LYS A 336 -0.511 -4.185 -6.654 1.00 0.00 C ATOM 935 O LYS A 336 -1.395 -4.994 -6.456 1.00 0.00 O ATOM 936 CB LYS A 336 -0.438 -2.185 -8.180 1.00 0.00 C ATOM 937 CG LYS A 336 -1.344 -2.839 -9.226 1.00 0.00 C ATOM 938 CD LYS A 336 -2.342 -1.806 -9.752 1.00 0.00 C ATOM 939 CE LYS A 336 -1.981 -1.434 -11.192 1.00 0.00 C ATOM 940 NZ LYS A 336 -0.857 -0.464 -11.072 1.00 0.00 N ATOM 0 H LYS A 336 0.786 -1.375 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.878 -2.548 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.540 -1.101 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.606 -2.415 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.745 -3.233 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.875 -3.683 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.354 -2.209 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.328 -0.917 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -1.684 -2.313 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -2.831 -0.990 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -0.578 -0.137 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -1.161 0.350 -10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -0.047 -0.927 -10.612 1.00 0.00 H new ATOM 954 N HIS A 337 0.742 -4.551 -6.722 1.00 0.00 N ATOM 955 CA HIS A 337 1.098 -5.985 -6.555 1.00 0.00 C ATOM 956 C HIS A 337 0.650 -6.421 -5.162 1.00 0.00 C ATOM 957 O HIS A 337 0.213 -7.534 -4.950 1.00 0.00 O ATOM 958 CB HIS A 337 2.621 -6.040 -6.681 1.00 0.00 C ATOM 959 CG HIS A 337 3.065 -7.472 -6.804 1.00 0.00 C ATOM 960 ND1 HIS A 337 4.403 -7.832 -6.794 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.363 -8.643 -6.942 1.00 0.00 C ATOM 962 CE1 HIS A 337 4.465 -9.171 -6.922 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.248 -9.714 -7.016 1.00 0.00 N ATOM 0 H HIS A 337 1.528 -3.921 -6.885 1.00 0.00 H new ATOM 0 HA HIS A 337 0.626 -6.641 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.945 -5.472 -7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.085 -5.578 -5.810 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.287 -8.721 -6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 337 5.385 -9.736 -6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.017 -10.702 -7.120 1.00 0.00 H new ATOM 971 N PHE A 338 0.732 -5.522 -4.219 1.00 0.00 N ATOM 972 CA PHE A 338 0.288 -5.834 -2.836 1.00 0.00 C ATOM 973 C PHE A 338 -1.237 -5.932 -2.822 1.00 0.00 C ATOM 974 O PHE A 338 -1.817 -6.803 -2.205 1.00 0.00 O ATOM 975 CB PHE A 338 0.749 -4.643 -1.999 1.00 0.00 C ATOM 976 CG PHE A 338 0.039 -4.664 -0.670 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.109 -5.867 0.028 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.473 -3.478 -0.138 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.771 -5.883 1.261 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.135 -3.492 1.093 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.285 -4.695 1.794 1.00 0.00 C ATOM 0 H PHE A 338 1.091 -4.577 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 338 0.691 -6.773 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.828 -4.685 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.536 -3.711 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.287 -6.783 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.357 -2.550 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.885 -6.811 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.531 -2.575 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.797 -4.706 2.745 1.00 0.00 H new ATOM 991 N GLN A 339 -1.881 -5.032 -3.514 1.00 0.00 N ATOM 992 CA GLN A 339 -3.368 -5.043 -3.574 1.00 0.00 C ATOM 993 C GLN A 339 -3.859 -6.358 -4.174 1.00 0.00 C ATOM 994 O GLN A 339 -4.762 -6.989 -3.660 1.00 0.00 O ATOM 995 CB GLN A 339 -3.721 -3.871 -4.485 1.00 0.00 C ATOM 996 CG GLN A 339 -4.288 -2.725 -3.647 1.00 0.00 C ATOM 997 CD GLN A 339 -5.796 -2.624 -3.874 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.237 -2.122 -4.890 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.614 -3.086 -2.968 1.00 0.00 N ATOM 0 H GLN A 339 -1.435 -4.284 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.830 -4.954 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.835 -3.537 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.450 -4.184 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.079 -2.895 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.805 -1.787 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.245 -3.507 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.622 -3.026 -3.113 1.00 0.00 H new